Glycoside
GD002320
Name:
NoneFormula:
C22H32O11N6Smiles:
O=C1CCN([C@@H]2O[C@H](CNC(=O)[C@H](Cc3cnc[nH]3)NC(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)N1Aglycone:
CNC(=O)C(Cc1cnc[nH]1)NC(C)=O.O=C1CCNC(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -5.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.53 | Num_heavy_atoms: | 39 |
| TPSA: | 255.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD01822
Formula: C4H6O2N2
Smiles:
O=C1CCNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
AD02227
Formula: C9H14O2N4
Smiles:
CNC(=O)C(Cc1cnc[nH]1)NC(C)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.24 | Num_heavy_atoms: | 15 |
| TPSA: | 86.88 | NumAromaticRings: | 1 |
